1-(3-bromo-2-methylpropyl)-4-chlorocyclohexane

C10H18BrCl — CID 123156119

IUPAC1-(3-bromo-2-methylpropyl)-4-chlorocyclohexane
SMILESCC(CBr)CC1CCC(Cl)CC1
InChIInChI=1S/C10H18BrCl/c1-8(7-11)6-9-2-4-10(12)5-3-9/h8-10H,2-7H2,1H3
InChIKeyVVICANBZSVJWRW-UHFFFAOYSA-N
MW253.61 g/mol
LogP4.21
Rot. Bonds3

About 1-(3-bromo-2-methylpropyl)-4-chlorocyclohexane

1-(3-bromo-2-methylpropyl)-4-chlorocyclohexane (PubChem CID 123156119) has the molecular formula C10H18BrCl and a molecular weight of 253.61 g/mol. Its IUPAC name is 1-(3-bromo-2-methylpropyl)-4-chlorocyclohexane.

Molecular Properties

Compound Name1-(3-bromo-2-methylpropyl)-4-chlorocyclohexane
PubChem CID123156119
Molecular FormulaC10H18BrCl
Molecular Weight253.61 g/mol
Exact Mass252.03
IUPAC Name1-(3-bromo-2-methylpropyl)-4-chlorocyclohexane
SMILESCC(CBr)CC1CCC(Cl)CC1
InChIInChI=1S/C10H18BrCl/c1-8(7-11)6-9-2-4-10(12)5-3-9/h8-10H,2-7H2,1H3
InChIKeyVVICANBZSVJWRW-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.61
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2-methylpropyl)cyclohexane
CID 64670797
4-(3-bromo-2-methylpropyl)cyclopentene
CID 165445923
1-(3-bromo-2-methylpropyl)-3-methylcyclohexane
CID 64670996
ethane;[(2S)-2-methylbutyl]cyclopropane;molecular hydrogen
CID 145112018
2-bromopropylcyclopropane
CID 67125934
ethane;1-ethyl-4-(2-methylbutyl)cyclohexane;propane
CID 144507767
1-chloro-4-(cyclopropylmethyl)cyclohexane
CID 123424415
1-(2,5-dimethylhexyl)-4-methylcyclohexane;ethane
CID 145356499
N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide
CID 114313551
2-(3-bromo-2-methylpropyl)oxolane
CID 66049606
[4-(2-methylbutyl)cyclohexyl]methanamine
CID 130208059
1-[4-(2-hydroxypropyl)cyclohexyl]propan-2-ol
CID 19387430

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylpropyl)-4-chlorocyclohexane?
The IUPAC name of 1-(3-bromo-2-methylpropyl)-4-chlorocyclohexane (CID 123156119) is 1-(3-bromo-2-methylpropyl)-4-chlorocyclohexane.
What is the SMILES notation for 1-(3-bromo-2-methylpropyl)-4-chlorocyclohexane?
The canonical SMILES for 1-(3-bromo-2-methylpropyl)-4-chlorocyclohexane is CC(CBr)CC1CCC(Cl)CC1.
What is the InChIKey of 1-(3-bromo-2-methylpropyl)-4-chlorocyclohexane?
The InChIKey is VVICANBZSVJWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrCl/c1-8(7-11)6-9-2-4-10(12)5-3-9/h8-10H,2-7H2,1H3.
What are the key properties of 1-(3-bromo-2-methylpropyl)-4-chlorocyclohexane?
1-(3-bromo-2-methylpropyl)-4-chlorocyclohexane has a molecular weight of 253.61 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylpropyl)-4-chlorocyclohexane is sourced from PubChem (CID 123156119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).